N-(2-Methylphenyl)-2-sulfanylbenzene-1-carboximidic acid

Base Information

• Chemical Name: N-(2-Methylphenyl)-2-sulfanylbenzene-1-carboximidic acid
• CAS No.: 20054-44-8
• Molecular Formula: C16H36Te
• Molecular Weight: 243.329
• NSC Number: 97542
• DSSTox Substance ID: DTXSID50942067
• Wikidata: Q82919038
• Mol file: 20054-44-8.mol

Synonyms:20054-44-8;NSC97542;DTXSID50942067;NSC-97542;N-(2-Methylphenyl)-2-sulfanylbenzene-1-carboximidic acid

Chemical Property of N-(2-Methylphenyl)-2-sulfanylbenzene-1-carboximidic acid

Chemical Property:

• Vapor Pressure: 0.000367mmHg at 25°C
• Boiling Point: 318.2°C at 760 mmHg
• Flash Point: 146.2°C
• Density: 1.233g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 243.07178521
• Heavy Atom Count: 17
• Complexity: 269

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1NC(=O)C2=CC=CC=C2S

Technology Process of N-(2-Methylphenyl)-2-sulfanylbenzene-1-carboximidic acid

There total 4 articles about N-(2-Methylphenyl)-2-sulfanylbenzene-1-carboximidic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

o-toluidine (95-53-4) + Methyl thiosalicylate (4892-02-8) → N-(2-methyl)phenyl-2-thiosalicylic acid amide (20054-44-8)

Guidance literature:

o-toluidine; With trimethylaluminum; In dichloromethane; toluene; at 0 - 20 ℃; for 0.5h;

Methyl thiosalicylate; In dichloromethane; toluene; for 12h; Reflux;

DOI:10.1002/ejoc.201801642

Reference yield:

2,2'-disulfanediyl-di-benzoic acid di-o-toluidide (177786-30-0) → N-(2-methyl)phenyl-2-thiosalicylic acid amide (20054-44-8)

Guidance literature:

With acetic acid; zinc;

Reference yield:

2,2'-dithiobenzoic acid (119-80-2) → N-(2-methyl)phenyl-2-thiosalicylic acid amide (20054-44-8)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) SOCl₂, dioxane, (ii) /BRN= 741981/

2: Zn, AcOH

With acetic acid; zinc;

upstream raw materials:

2,2'-disulfanediyl-di-benzoic acid di-o-toluidide

2,2'-dithiobenzoic acid

o-toluidine

Methyl thiosalicylate

Downstream raw materials:

2-(o-tolyl)benzo[d]isothiazol-3(2H)-one

3-o-tolyl-benzo[e][1,3]thiazine-2,4-dithione

2-thioxo-3-o-tolyl-2,3-dihydro-benzo[e][1,3]thiazin-4-one